[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CNC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C15H13N3O3/c16-8-7-11-3-5-12(6-4-11)18-14(19)10-21-15(20)13-2-1-9-17-13/h1-6,9,17H,7,10H2,(H,18,19)